4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyrrole-2-carboxamide

C13H15N3OS — CID 62840417

IUPAC4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)NC2CCCc3sccc32)c1
InChIInChI=1S/C13H15N3OS/c14-8-6-11(15-7-8)13(17)16-10-2-1-3-12-9(10)4-5-18-12/h4-7,10,15H,1-3,14H2,(H,16,17)
InChIKeyQAUODCLFLXEKDW-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.47
Rot. Bonds2

About 4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyrrole-2-carboxamide

4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 62840417) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID62840417
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)NC2CCCc3sccc32)c1
InChIInChI=1S/C13H15N3OS/c14-8-6-11(15-7-8)13(17)16-10-2-1-3-12-9(10)4-5-18-12/h4-7,10,15H,1-3,14H2,(H,16,17)
InChIKeyQAUODCLFLXEKDW-UHFFFAOYSA-N
XLogP2.47
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62840249
6-methyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyridine-3-carboxamide
CID 104856721
3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62841982
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-indole-6-carboxamide
CID 63770554
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide
CID 64593278
4-amino-1-ethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrrole-2-carboxamide
CID 62840418
4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62844058
2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 55126711
2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62842162
3-amino-2-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 115930522
6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridazine-3-carboxamide
CID 62845505
2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide
CID 62844385

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyrrole-2-carboxamide (CID 62840417) is 4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)NC2CCCc3sccc32)c1.
What is the InChIKey of 4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is QAUODCLFLXEKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c14-8-6-11(15-7-8)13(17)16-10-2-1-3-12-9(10)4-5-18-12/h4-7,10,15H,1-3,14H2,(H,16,17).
What are the key properties of 4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyrrole-2-carboxamide?
4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 62840417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).